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CS-W001157 4
Total: USD 88.00

1-(3-Chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid

  • CAS No. 944901-58-0

  • Cat. No. CS-0188483
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-(3-Chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid|CS-0188483

Structure of 944901-58-0

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General Information

  • CAS No. 944901-58-0
  • Cat. No. CS-0188483
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClN₃O₂
  • Molecular Weight 223.62
  • Synonym(s) 1-(3-chlorophenyl)triazole-4-carboxylic acid
  • SMILES C1=CC(=CC(=C1)N2C=C(C(=O)O)N=N2)Cl

Synthesis

  • Route1
    • Ethyl 1-(3-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate|CS-0330066
      950271-98-4
    • ~%
    • In-stock
      1-(3-Chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid|CS-0188483
      944901-58-0

    References

    • BRISTOL-MYERS SQUIBB COMPANY; PINTO, Donald J.; CORTE, James R.; GILLIGAN, Paul J.; FANG, Tianan; SMITH II, Leon M.; WANG, Yufeng; YANG, Wu; EWING, William R. Patent: WO2013/22818 A1, 2013 ; Location in patent: Paragraph 00329 ; WO 2013/022818 A1
  • Route2
    • null|null
      108-42-9
    • ~%
    • In-stock
      1-(3-Chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid|CS-0188483
      944901-58-0

    References

    • BRISTOL-MYERS SQUIBB COMPANY; PINTO, Donald J.; CORTE, James R.; GILLIGAN, Paul J.; FANG, Tianan; SMITH II, Leon M.; WANG, Yufeng; YANG, Wu; EWING, William R. Patent: WO2013/22818 A1, 2013 ; WO 2013/022818 A1
  • Route3
    • null|null
      3296-06-8
    • ~%
    • In-stock
      1-(3-Chlorophenyl)-1H-1,2,3-triazole-4-carboxylic acid|CS-0188483
      944901-58-0

    References

    • BRISTOL-MYERS SQUIBB COMPANY; PINTO, Donald J.; CORTE, James R.; GILLIGAN, Paul J.; FANG, Tianan; SMITH II, Leon M.; WANG, Yufeng; YANG, Wu; EWING, William R. Patent: WO2013/22818 A1, 2013 ; WO 2013/022818 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   68.01
  • LogP   1.6189
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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